4-tert-butyl-N-[(6-methyl-3-pyridinyl)methyl]cycloheptan-1-amine

C18H30N2 — CID 65089500

IUPAC4-tert-butyl-N-[(6-methyl-3-pyridinyl)methyl]cycloheptan-1-amine
SMILESCc1ccc(CNC2CCCC(C(C)(C)C)CC2)cn1
InChIInChI=1S/C18H30N2/c1-14-8-9-15(12-19-14)13-20-17-7-5-6-16(10-11-17)18(2,3)4/h8-9,12,16-17,20H,5-7,10-11,13H2,1-4H3
InChIKeyKGMVFZNQJCPOFV-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.47
Rot. Bonds3

About 4-tert-butyl-N-[(6-methyl-3-pyridinyl)methyl]cycloheptan-1-amine

4-tert-butyl-N-[(6-methyl-3-pyridinyl)methyl]cycloheptan-1-amine (PubChem CID 65089500) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 4-tert-butyl-N-[(6-methyl-3-pyridinyl)methyl]cycloheptan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-N-[(6-methyl-3-pyridinyl)methyl]cycloheptan-1-amine
PubChem CID65089500
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name4-tert-butyl-N-[(6-methyl-3-pyridinyl)methyl]cycloheptan-1-amine
SMILESCc1ccc(CNC2CCCC(C(C)(C)C)CC2)cn1
InChIInChI=1S/C18H30N2/c1-14-8-9-15(12-19-14)13-20-17-7-5-6-16(10-11-17)18(2,3)4/h8-9,12,16-17,20H,5-7,10-11,13H2,1-4H3
InChIKeyKGMVFZNQJCPOFV-UHFFFAOYSA-N
XLogP4.47
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(6-methyl-3-pyridinyl)methyl]cyclopropanamine
CID 43163855
4-[[(4-tert-butylcycloheptyl)amino]methyl]phenol
CID 114331493
N-[(6-methyl-3-pyridinyl)methyl]azepan-4-amine
CID 103982082
4-tert-butyl-N-[(5-methylpyrazin-2-yl)methyl]cyclohexan-1-amine
CID 62845689
N-[[6-[1,1-bis(phosphanyl)ethyl]-3-pyridinyl]methyl]cyclopropanamine
CID 155399172
3-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclobutan-1-amine
CID 62997224
4-tert-butyl-N-[(3-chlorophenyl)methyl]cycloheptan-1-amine
CID 65089981
[3-[[(4-tert-butylcycloheptyl)amino]methyl]phenyl]methanol
CID 107229780
N-[(6-methyl-3-pyridinyl)methyl]-1,1-dioxothiolan-3-amine
CID 62996716
4-tert-butyl-N-(pyridin-2-ylmethyl)cycloheptan-1-amine
CID 65090954
4-tert-butyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]cycloheptan-1-amine
CID 103859312
N-[2-methyl-3-(6-methyl-3-pyridinyl)propyl]cyclopropanamine
CID 64666694

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(6-methyl-3-pyridinyl)methyl]cycloheptan-1-amine?
The IUPAC name of 4-tert-butyl-N-[(6-methyl-3-pyridinyl)methyl]cycloheptan-1-amine (CID 65089500) is 4-tert-butyl-N-[(6-methyl-3-pyridinyl)methyl]cycloheptan-1-amine.
What is the SMILES notation for 4-tert-butyl-N-[(6-methyl-3-pyridinyl)methyl]cycloheptan-1-amine?
The canonical SMILES for 4-tert-butyl-N-[(6-methyl-3-pyridinyl)methyl]cycloheptan-1-amine is Cc1ccc(CNC2CCCC(C(C)(C)C)CC2)cn1.
What is the InChIKey of 4-tert-butyl-N-[(6-methyl-3-pyridinyl)methyl]cycloheptan-1-amine?
The InChIKey is KGMVFZNQJCPOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-14-8-9-15(12-19-14)13-20-17-7-5-6-16(10-11-17)18(2,3)4/h8-9,12,16-17,20H,5-7,10-11,13H2,1-4H3.
What are the key properties of 4-tert-butyl-N-[(6-methyl-3-pyridinyl)methyl]cycloheptan-1-amine?
4-tert-butyl-N-[(6-methyl-3-pyridinyl)methyl]cycloheptan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(6-methyl-3-pyridinyl)methyl]cycloheptan-1-amine is sourced from PubChem (CID 65089500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).